SCHEMBL320098

SCHEMBL320098

Cn1c(=O)n(CCCI)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
AGER Q15109 1/20 0.49
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL27369455 0.84 TSHR (0.57) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL318169 0.82 TSHR (0.64) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL507500 0.82 TSHR (0.60) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL507400 0.81 TSHR (0.58) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL8130570 0.81 TSHR (0.62) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL24665898 0.79 CYP1A2 (0.61) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL5033626 0.79 TNF (0.59) TSHRALDH1A1LMNAAGERL3MBTL1
SCHEMBL6955745 0.78 CYP1A2 (0.59) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL11098187 0.78 CYP1A2 (0.59) TSHRMEN1KMT2ACYP1A2NPC1
SCHEMBL16822023 0.78 CYP1A2 (0.59) TSHRMEN1KMT2ACYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 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 (1 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 TSHR 68/4885MEN1 2011/4885KMT2A 2446/4885

“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.