SCHEMBL4895341

SCHEMBL4895341

c1ccc2c(c1)CN(N1CCNCC1)S2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ ADRB1 P08588 3/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ RYR2 Q92736 3/20 0.36
▸ DRD2 P14416 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR2B P41595 2/20 0.32

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
SCHEMBL2226077 0.71 HTR2C (0.46) HTR2CHTR2AADRB1SIGMAR1HTR3E
SCHEMBL11111087 0.66 RYR2 (0.37) HTR2CSIGMAR1RYR2
SCHEMBL3894929 0.63 RYR2 (0.36) SIGMAR1RYR2KMT2A
SCHEMBL6969929 0.63 RYR2 (0.40) SIGMAR1RYR2KMT2A
SCHEMBL31146716 0.63 RYR2 (0.36) HTR2CHTR2ASIGMAR1RYR2KMT2A
SCHEMBL11217635 0.63 MAOA (0.40) KDM1ASIGMAR1RYR2DRD2
SCHEMBL17185647 0.63 RYR2 (0.36) SIGMAR1RYR2KMT2A
SCHEMBL19674181 0.63 RYR2 (0.40) SIGMAR1RYR2KMT2A
SCHEMBL11118465 0.63 RYR2 (0.40) SIGMAR1RYR2MEN1KMT2A
SCHEMBL29463396 0.63 MAOA (0.40) KDM1ASIGMAR1RYR2DRD2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295112-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-09-21 — — US disclosed
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 — — US disclosed
EP-1757292-A1 Method of treating ocd and tic disorders Pfizer Products Inc. (US) 2007-02-28 — — EP disclosed
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles PFIZER INC 2005-02-17 — — US disclosed
US-20050014764-A1 Method for enhancing cognition using ziprasidone PFIZER INC 2005-01-20 — — US disclosed
US-20050004138-A1 Anxiety treatments with ziprasidone PFIZER INC 2005-01-06 — — US disclosed
US-20050004137-A1 Treatment of psychotic and depressive disorders PFIZER INC 2005-01-06 — — US disclosed
EP-0931547-B1 Piperazinyl-heterocyclic compounds in the treatment of dementia PFIZER PROD INC (US) 2003-01-22 — — EP disclosed
US-6245766-B1 USING A PIPERAZINE COMPOUND PFIZER INC 2001-06-12 — — US disclosed
US-6127373-A Method of treating tourette's syndrome and obsessive compulsive disorder PFIZER INC. (US) 2000-10-03 — — US disclosed
EP-0931547-A1 Piperazinyl-heterocyclic compounds in the treatment of psychiatric conditions Pfizer Products Inc. (US) 1999-07-28 — — EP disclosed
EP-0901789-A1 Method of treating tourette's syndrome Pfizer Products Inc. (US) 1999-03-17 — — EP disclosed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 — — EP disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 — — EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 — — US disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 — — US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 — — US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 — — EP disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 — — EP 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 (6 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-20050004137-A1 Treatment of psychotic and depressive disorders SNCA, NLN, INA HTR2C 397/4885HTR2A 232/4885KDM1A 3812/4885
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR2C 475/4885HTR2A 295/4885KDM1A 2349/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR2C 417/4885HTR2A 80/4885KDM1A 1633/4885
US-20230295112-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH HTR2C 1257/4885HTR2A 2274/4885KDM1A 3373/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR2C 518/4885HTR2A 179/4885KDM1A 992/4885
US-20050004138-A1 Anxiety treatments with ziprasidone NPSR1, AVPR1B, SLC39A3 HTR2C 493/4885HTR2A 188/4885KDM1A 4227/4885

“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.

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