SCHEMBL170943

SCHEMBL170943

CCCN(Cc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
TSHR P16473 6/20 0.45
ALDH1A1 P00352 3/20 0.45
KCNH2 Q12809 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KCNA5 P22460 2/20 0.44
TP53 P04637 1/20 0.44
OPRK1 P41145 4/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 2/20 0.44
SLC22A2 O15244 1/20 0.44

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
SCHEMBL14024617 0.89 SIGMAR1 (0.54) BCHESIGMAR1TSHRALDH1A1KCNH2
SCHEMBL666712 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL27706375 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL667520 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL667263 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL23308021 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL667946 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL11258123 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL27727257 0.85 SIGMAR1 (0.51) BCHESIGMAR1KCNH2OPRK1CYP2D6
SCHEMBL3635237 0.85 TSHR (0.54) SIGMAR1TSHRALDH1A1KCNH2KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-11753403-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 WO disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-5977409-A Method of using α-substituted benzylamine chiral auxiliary synthetic reagents UNIVERSITY OF TOLEDO (US) 1999-11-02 US 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS BCHE 1424/4885SIGMAR1 915/4885TSHR 2355/4885
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR BCHE 4557/4885SIGMAR1 2876/4885TSHR 3343/4885
US-11753403-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 BCHE 4352/4885SIGMAR1 3716/4885TSHR 4140/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT BCHE 1381/4885SIGMAR1 4713/4885TSHR 3915/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS BCHE 1424/4885SIGMAR1 915/4885TSHR 2355/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR BCHE 4557/4885SIGMAR1 2876/4885TSHR 3343/4885

“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.