Sugi Predict

Sugi Predict / Compounds / SCHEMBL894618

SCHEMBL894618

SCHEMBL894618

Clc1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 7/20 1.00
▸ HTR3E A5X5Y0 4/20 1.00
▸ HTR3B O95264 4/20 1.00
▸ HTR3A P46098 4/20 1.00
▸ HTR3D Q70Z44 4/20 1.00
▸ HTR3C Q8WXA8 4/20 1.00
▸ SIGMAR1 Q99720 4/20 1.00
▸ LTA4H P09960 2/20 0.79
▸ CHRM2 P08172 1/20 0.63
▸ CHRM4 P08173 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ CHRM3 P20309 1/20 0.63
▸ CETP P11597 4/20 0.61
▸ TP53 P04637 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL219742 1.00 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL708482 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL314621 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7527162 0.94 ADRB1 (0.88) ADRB1HTR3EHTR3BHTR3AHTR3D
Formaldehyde SCHEMBL27861281 0.92 ADRB1 (0.85) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL29089117 0.92 ADRB1 (0.85) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL658716 0.92 ADRB1 (0.85) ADRB1HTR3EHTR3BHTR3AHTR3D
Bicarbonate SCHEMBL11625611 0.90 ADRB1 (0.81) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL588594 0.89 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D
Alcohol SCHEMBL11585083 0.89 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 — — US claimed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 — — EP claimed
EP-0434341-B1 Diazine derivatives ZENECA LTD (GB) 1995-05-17 — — EP claimed
EP-0434341-A1 Diazine derivatives ZENECA LIMITED (GB) 1991-06-26 — — EP claimed
US-4925841-A ANTICONVULSANTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1990-05-15 — — US claimed
US-3959281-A CORONARY DILATORS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-25 — — US claimed
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 — — US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 — — US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 — — US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 — — US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 — — US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 — — US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 — — US disclosed
WO-1989004829-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1989-06-01 — — WO disclosed
EP-0318214-A1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORPORATION (US) 1989-05-31 — — EP disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 — — US disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 — — WO disclosed
US-4731364-A Dihydrobenzo(B)thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1988-03-15 — — US disclosed
EP-0212428-A1 Dihydrobenzo/b /thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1987-03-04 — — EP disclosed
US-3855225-A BASICALLY SUBSTITUTED (1H,3H)-QUINAZOLINE-2-THION-4-ONE DERIVATIVES CASSELLA FARBWERKE MAINKUR AG 1974-12-17 — — 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885

“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.