SCHEMBL194631

SCHEMBL194631

c1cc(N2CCNCC2)cnn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.62
ADRB2 P07550 1/20 0.62
NCF1 P14598 1/20 0.62
CHRNB2 P17787 6/20 0.53
CHRNA4 P43681 6/20 0.53
ADRB1 P08588 6/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SIGMAR1 Q99720 2/20 0.50

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 SCHEMBL20424251 0.98 PLD1 (0.60) PLD1ADRB2NCF1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL5633804 0.84 HRH4 (0.47) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL11922650 0.81 CHKA (0.58) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL30837612 0.81 CHKA (0.58) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL30750948 0.81 CHKA (0.52) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL18136307 0.79 CHKA (0.56) CHRNB2CHRNA4
SCHEMBL10491585 0.79 CHKA (0.56) CHRNB2CHRNA4
SCHEMBL2103156 0.78 CHKA (0.39) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL74335 0.77 ADRB2 (1.00) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL894239 0.77 ADRB2 (1.00) PLD1ADRB2NCF1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers Asteroid Therapeutics (US) 2025-10-28 US disclosed
WO-2023205801-A2 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics (US) 2023-10-26 WO disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
EP-4139291-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF Anima Biotech Inc. (US) 2023-03-01 EP disclosed
EP-2063894-B1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2019-08-28 EP disclosed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 US disclosed
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
WO-2007127375-A2 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES NORTHWESTERN UNIVERSITY (US) 2007-11-08 WO disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (5 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-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers SREBF1, SREBF2, NR1H3 PLD1 1658/4885ADRB2 2468/4885NCF1 2920/4885
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 PLD1 3949/4885ADRB2 3141/4885NCF1 436/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 PLD1 3949/4885ADRB2 3141/4885NCF1 436/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 PLD1 1658/4885ADRB2 2468/4885NCF1 2920/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 PLD1 2666/4885ADRB2 45/4885NCF1 1091/4885

“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.