SCHEMBL1961114

SCHEMBL1961114

Cc1ccc(C(C)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
TRPV4 Q9HBA0 1/20 0.40
PTGS2 P35354 4/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
METAP2 P50579 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL30567618 1.00 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL21300025 0.86 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL29497498 0.84 TRPV4 (0.58) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL130934 0.84 TRPV4 (0.58) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL146646 0.83 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
Ammonia Solution, Strong SCHEMBL28458759 0.82 TRPV4 (0.56) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24922473 0.81 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL25894850 0.80 CCR1 (0.44) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL18639231 0.77 TRPV4 (0.68) TRPV4
SCHEMBL12918280 0.77 NOS3 (0.48) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841086-B1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2025-04-23 EP disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-13 US disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
CN-116917289-A T-type calcium channel antagonists and uses thereof 小利兰·斯坦福大学董事会 2023-10-20 CN disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 US disclosed
EP-1989184-A2 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES Dow AgroSciences LLC (US) 2008-11-12 EP disclosed
WO-2008030266-A2 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILMINES DOW AGROSCIENCES LLC (US) 2008-03-13 WO disclosed
WO-2008030266-A2 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILMINES DOW AGROSCIENCES LLC (US) 2008-03-13 WO disclosed
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines CORTEVA AGRISCIENCE LLC 2007-08-30 US disclosed
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines CORTEVA AGRISCIENCE LLC 2007-08-30 US disclosed
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines CORTEVA AGRISCIENCE LLC 2007-08-30 US disclosed
WO-2007095229-A2 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2007-08-23 WO disclosed
WO-2007095229-A2 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2007-08-23 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 (6 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-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF CACNA1G, CACNA1H, CACNB2 CCR1 2841/4885CCR5 3475/4885CCR8 2881/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CCR1 2304/4885CCR5 3882/4885CCR8 2308/4885
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines AANAT, GNMT, STS CCR1 4428/4885CCR5 2792/4885CCR8 3744/4885
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines NPEPPS, PRDX6, HDHD5 CCR1 3980/4885CCR5 2886/4885CCR8 2597/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI CCR1 1760/4885CCR5 2794/4885CCR8 2053/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CCR1 2225/4885CCR5 3852/4885CCR8 2465/4885

“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.