SCHEMBL81365

SCHEMBL81365

Cc1cccc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 1.00
HTR7 P34969 5/20 0.62
HTR1A P08908 4/20 0.62
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3A P46098 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
SIGMAR1 Q99720 3/20 0.62
HTR2C P28335 3/20 0.62
THRB P10828 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL29391951 1.00 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6965723 0.98 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL314399 0.98 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL234093 0.93 ADRB1 (0.87) ADRB1HTR7HTR1AHTR3EHTR3B
Bicarbonate SCHEMBL11624933 0.92 ADRB1 (0.84) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL5540575 0.89 ADRB1 (0.80) ADRB1HTR7HTR1AHTR3EHTR3B
Succinic Acid SCHEMBL7471098 0.86 ADRB1 (0.74) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL10373770 0.86 ADRB1 (0.74) ADRB1HTR7ALDH1A1MAPTKCNH2
SCHEMBL11103700 0.86 ADRB1 (0.74) ADRB1HTR7ALDH1A1MAPTKCNH2
SCHEMBL11714795 0.85 ADRB1 (0.72) ADRB1HTR7HTR1AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059259-A1 NEW PROCESS FOR PHENYLEPHRINE AND SALBUTAMOL AND RELATED COMPOUNDS VIA ASYMETRIC TRANSFER HYDROGENATION OF UNPROTECTED AMINO KETONES VIRGINIA COMMONWEALTH UNIVERSITY (US) 2025-03-20 WO claimed
CN-111795963-B Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2022-05-03 CN claimed
CN-111879767-B Color development test method of piperazine novel mental active substance 福建警察学院 2022-05-03 CN claimed
US-11261282-B2 PEO-PPO-PEO triblock bipolymers, with amphoteric endings, as demulsifying agents for heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2022-03-01 US claimed
CN-110452130-B Obovatol Mannich base derivative and preparation method and application thereof 山西农业大学 2022-03-01 CN claimed
CN-110437191-B 13-amino xanthatin derivative and preparation method and application thereof 山西农业大学 2021-05-04 CN claimed
US-20200347173-A1 PEO-PPO-PEO TRIBLOCK BIPOLYMERS, WITH AMPHOTERIC ENDINGS, AS DEMULSIFYING AGENTS FOR HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2020-11-05 US claimed
CN-111879767-A Color development test method of piperazine novel mental active substance 福建警察学院 2020-11-03 CN claimed
CN-111795963-A Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2020-10-20 CN claimed
US-10253006-B2 Assay for the detection of the phenylpiperazine family RANDOX LABORATORIES LIMITED (GB) 2019-04-09 US claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
WO-2013167177-A1 GPR17 RECEPTOR MODULATORS. UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2013-11-14 WO claimed
US-20130224882-A1 Assay for the Detection of the Phenylpiperazine Family RANDOX LABORATORIES LIMITED (GB) 2013-08-29 US claimed
EP-2631231-A1 Assay for the detection of the phenypiperazine family Randox Laboratories Ltd. (GB) 2013-08-28 EP claimed
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US claimed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US claimed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO claimed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP 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 (3 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-20130224882-A1 Assay for the Detection of the Phenylpiperazine Family METAP2, DCPS, NPEPPS ADRB1 3944/4885HTR7 512/4885HTR1A 1233/4885
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ADRB1 786/4885HTR7 1798/4885HTR1A 1755/4885
US-10253006-B2 Assay for the detection of the phenylpiperazine family METAP2, DCPS, NPEPPS ADRB1 3944/4885HTR7 512/4885HTR1A 1233/4885

“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.