SCHEMBL998305

SCHEMBL998305

C[C@H](N)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
PDE2A O00408 2/20 0.43
ADRB2 P07550 1/20 0.38
P2RX3 P56373 2/20 0.37
P2RX7 Q99572 2/20 0.36
PIK3CA P42336 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
KCNH2 Q12809 2/20 0.36
GPR139 Q6DWJ6 1/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TRPV3 Q8NET8 3/20 0.36
CYP2C9 P11712 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31365136 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
SCHEMBL367869 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
SCHEMBL347477 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL4525613 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL29220549 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL28929954 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL14480234 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL28673757 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL1000893 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL29220551 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729447-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2014-05-14 EP claimed
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-02-13 US claimed
WO-2013007621-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2013-01-17 WO claimed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US claimed
US-12240828-B2 Heteroaromatic compounds as vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-03-04 US disclosed
EP-3890828-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-02-19 EP disclosed
EP-4330231-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION Sitryx Therapeutics Limited (GB) 2024-03-06 EP disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
EP-4079725-A1 N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) 2022-10-26 EP disclosed
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA1 TRPV4 339/4885PDE2A 564/4885ADRB2 77/4885
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C TRPV4 2607/4885PDE2A 905/4885ADRB2 511/4885
US-12240828-B2 Heteroaromatic compounds as vanin inhibitors VHL, FANCI, PAH TRPV4 338/4885PDE2A 4640/4885ADRB2 646/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 TRPV4 339/4885PDE2A 564/4885ADRB2 77/4885
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 TRPV4 26/4885PDE2A 1146/4885ADRB2 221/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 TRPV4 2831/4885PDE2A 888/4885ADRB2 347/4885
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH TRPV4 338/4885PDE2A 4640/4885ADRB2 646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.