SCHEMBL3159689

SCHEMBL3159689

COc1cccc(C2(N)CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
SLC6A4 P31645 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ACHE P22303 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
Hydrochloric Acid SCHEMBL18742400 0.98 KDM1A (0.56) KDM1AKMT2AALDH1A1CYP3A4SLC6A4
SCHEMBL17982834 0.93 KDM1A (0.54) KDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL521519 0.93 KDM1A (0.54) KDM1AKMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL5221231 0.91 KDM1A (0.53) KDM1A
Hydrochloric Acid SCHEMBL18742809 0.91 KDM1A (0.53) KDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL23647440 0.88 KDM1A (0.50) KDM1AKMT2AALDH1A1CYP3A4SLC6A4
SCHEMBL31158366 0.88 KDM1A (0.50) KDM1AKMT2AALDH1A1CYP3A4SLC6A4
SCHEMBL613824 0.87 KDM1A (0.49) KDM1AKMT2AALDH1A1CYP3A4SLC6A4
SCHEMBL6661373 0.85 KDM1A (0.51) KDM1AKMT2AALDH1A1SLC6A4OPRM1
Ethylene SCHEMBL11097079 0.84 KDM1A (0.47) KDM1AKMT2AALDH1A1SLC6A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP claimed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US claimed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US claimed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 EP claimed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 WO claimed
US-20260116879-A1 AZAINDOLE ROCK INHIBITORS AVICENNA BIOSCIENCES, INC. (US) 2026-04-30 US disclosed
EP-4642764-A2 AZAINDOLE ROCK INHIBITORS Avicenna Biosciences, Inc. (US) 2025-11-05 EP disclosed
US-12415805-B2 Azaindole rock inhibitors AVICENNA BIOSCIENCES, INC. (US) 2025-09-16 US disclosed
US-20250250273-A1 AZAINDOLE ROCK INHIBITORS AVICENNA BIOSCIENCES, INC. (US) 2025-08-07 US disclosed
US-12286433-B1 Azaindole rock inhibitors AVICENNA BIOSCIENCES, INC. (US) 2025-04-29 US disclosed
US-12281115-B2 Azaindole rock inhibitors AVICENNA BIOSCIENCES, INC. (US) 2025-04-22 US disclosed
US-20250115605-A1 AZAINDOLE ROCK INHIBITORS AVICENNA BIOSCIENCES, INC. (US) 2025-04-10 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (10 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-12415805-B2 Azaindole rock inhibitors ROCK2, ROCK1, ARHGDIA KDM1A 492/4885KMT2A 1053/4885ALDH1A1 3897/4885
US-20250250273-A1 AZAINDOLE ROCK INHIBITORS ROCK2, ROCK1, ARHGDIA KDM1A 492/4885KMT2A 1053/4885ALDH1A1 3897/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM1A 1100/4885KMT2A 300/4885ALDH1A1 3102/4885
US-12281115-B2 Azaindole rock inhibitors ROCK2, ROCK1, ARHGDIA KDM1A 492/4885KMT2A 1053/4885ALDH1A1 3897/4885
US-20260116879-A1 AZAINDOLE ROCK INHIBITORS PRKG2, PRKG1, ROCK2 KDM1A 682/4885KMT2A 1024/4885ALDH1A1 3357/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM1A 2129/4885KMT2A 1920/4885ALDH1A1 3113/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KDM1A 1981/4885KMT2A 3120/4885ALDH1A1 428/4885
US-20250115605-A1 AZAINDOLE ROCK INHIBITORS ROCK2, ROCK1, ARHGDIA KDM1A 492/4885KMT2A 1053/4885ALDH1A1 3897/4885
US-12286433-B1 Azaindole rock inhibitors ROCK2, ROCK1, ARHGDIA KDM1A 492/4885KMT2A 1053/4885ALDH1A1 3897/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 KDM1A 1981/4885KMT2A 3120/4885ALDH1A1 428/4885

“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.