SCHEMBL233169

SCHEMBL233169

N#Cc1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.58
HTR6 P50406 3/20 0.53
HTR7 P34969 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 2/20 0.53
HTR5A P47898 2/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NCF1 P14598 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53

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 SCHEMBL20139829 0.98 ADRB1 (0.56) ADRB1HTR6HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL29882725 0.98 ADRB1 (0.56) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL20140127 0.93 ADRB1 (0.51) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL6718397 0.89 DRD2 (0.53) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL232795 0.86 ALDH1A1 (0.53) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL3088832 0.86 DRD4 (0.54) HTR7HTR1AALDH1A1DRD2DRD3
SCHEMBL2341786 0.85 HTR2A (0.44) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL25003058 0.84 DRD2 (0.63) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL30839756 0.84 DRD2 (0.63) ADRB1HTR6HTR7HTR1AHTR2A
SCHEMBL26968319 0.84 ALDH1A1 (0.52) ADRB1HTR6HTR7HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME FUTURE MEDICINE CO., LTD. (KR) 2024-06-20 US claimed
EP-4296273-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME Future Medicine Co., Ltd. (KR) 2023-12-27 EP claimed
CN-117083286-A Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same 未来制药有限公司 2023-11-17 CN claimed
CN-116444454-B N-hydroxy amidine derivative, preparation method and application thereof, and tumor immunotherapy medicament 中国医学科学院医药生物技术研究所 2023-09-12 CN claimed
CN-116444454-A N-hydroxy amidine derivative, preparation method and application thereof, and tumor immunotherapy medicament 中国医学科学院医药生物技术研究所 2023-07-18 CN claimed
WO-2022203427-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME 퓨쳐메디신 주식회사 2022-09-29 WO claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-102807577-B Chiral compound LUO MEI 2015-04-22 CN claimed
CN-101795689-B Positive allosteric modulators of benzamide mGluR5 and methods of making and using the same UNIV VANDERBILT 2014-11-19 CN claimed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
US-8124637-B2 Anthra [1, 2-d]imidazole-6,11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-02-28 US claimed
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US claimed
US-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
JP-2008521903-A 2008-06-26 JP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA1, ANXA5, ANXA2 ADRB1 2309/4885HTR6 3434/4885HTR7 4309/4885
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME ADORA2A, ADORA3, ADORA2B ADRB1 39/4885HTR6 55/4885HTR7 42/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K ADRB1 3656/4885HTR6 3700/4885HTR7 2326/4885
US-20110207719-A1 Novel Anthra [1, 2-d]imidazole-6,11-dione Derivatives, Preparation Method and application thereof TERT, ACIN1, AK2 ADRB1 2807/4885HTR6 3475/4885HTR7 4038/4885

“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.