SCHEMBL771932

SCHEMBL771932

[CH2]CN1CCC(F)(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30

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
SCHEMBL1195455 0.84
SCHEMBL21236897 0.72 NOS3 (0.37) HRH3NOS3NOS1NOS2
SCHEMBL771897 0.72
SCHEMBL1710042 0.72 KDM4E (0.37) HRH3NOS3NOS1NOS2
SCHEMBL19932127 0.72 NOS3 (0.37) HRH3NOS3NOS1NOS2
SCHEMBL23772 0.71
SCHEMBL16268871 0.71
SCHEMBL21273972 0.70
SCHEMBL738247 0.70 HRH3 (0.33) HRH3
SCHEMBL772354 0.70 HTR1A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO claimed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP claimed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US claimed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 EP claimed
EP-3298011-B1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-11-17 EP claimed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 US claimed
EP-3749669-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2020-12-16 EP claimed
EP-3720856-A1 DOPAMINE-& X392;-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2020-10-14 EP claimed
CN-111479812-A dopamine-B-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2020-07-31 CN claimed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO claimed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO claimed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US claimed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP claimed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO claimed
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US claimed
CN-101535296-A 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as pi3k and mtor inhibitors for the treatment of proliferative disorders ASTRAZENECA AB (SE) 2009-09-16 CN claimed
EP-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP claimed
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032077-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 HRH3 246/4885NOS3 2622/4885NOS1 1884/4885
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD HRH3 1741/4885NOS3 2301/4885NOS1 2179/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT HRH3 68/4885NOS3 1093/4885NOS1 918/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT HRH3 73/4885NOS3 1033/4885NOS1 813/4885

“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.