SCHEMBL12854

SCHEMBL12854

Cc1cccc(CN2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.67
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
PRMT6 Q96LA8 1/20 0.61
KDM4E B2RXH2 3/20 0.59
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.58
HTT P42858 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL29447423 1.00 HRH3 (0.67) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL31546411 0.98 HRH3 (0.69) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL12981 0.98 HRH3 (0.69) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL24495602 0.88 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL26010164 0.86 HRH3 (0.69) HRH3ALDH1A1PRMT6KDM4EMAPT
SCHEMBL11192726 0.86 PRMT6 (0.78) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL11339852 0.86 PRMT6 (0.78) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6
SCHEMBL20663301 0.84 NCF1 (0.59) HRH3ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL28849168 0.84 CXCR4 (0.64) HRH3ALDH1A1TDP1KDM4EMAPT
SCHEMBL19206094 0.84 ALDH1A1 (0.61) HRH3ALDH1A1SMN1; SMN2TDP1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
EP-3203840-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2020-08-05 EP disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
EP-3003314-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER KALA PHARMACEUTICALS INC (US) 2019-05-15 EP disclosed
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 EP disclosed
US-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-08-02 US disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
WO-2018053373-A1 USES OF SATL-INDUCIBLE KINASE (SIK) INHIBITORS FOR TREATING OSTEOPOROSIS THE GENERAL HOSPITAL CORPORATION (US) 2018-03-22 WO disclosed
EP-0660667-B1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME INT FLAVORS & FRAGRANCES INC (US) 1997-04-23 EP disclosed
US-5576010-A Use of dimethyl substituted oxymethyl cyclohexane derivatives for their insect repellency properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1996-11-19 US disclosed
US-5521165-A HETEROCYCLIC ORGANOBORON DERIVATIVES IN A POLYMER MATRIX INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1996-05-28 US disclosed
US-5472701-A Used as soaps, candles for flies, mosquitoes; washing mammals INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-12-05 US disclosed
US-5464626-A EXPOSING A THREE-DIMENSIONAL SPACE TO A SPECIFIED CARBONATE COMPOUND INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-11-07 US disclosed
EP-0660667-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME. INT FLAVORS & FRAGRANCES INC (US) 1995-07-05 EP disclosed
US-5401500-A House flies attracted with benzoin group and dimethyl benzyl carbinyl acetate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-03-28 US disclosed
EP-0629344-A2 Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-12-21 EP disclosed
WO-1994006295-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-03-31 WO disclosed
US-5250575-A Exposure to concentration in detergent or candle INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-10-05 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 (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-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER SIK1, SIK2, SGK1 HRH3 1246/4885ALDH1A1 4501/4885SMN1; SMN2 4328/4885
US-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C HRH3 1440/4885ALDH1A1 1399/4885SMN1; SMN2 2028/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C HRH3 1440/4885ALDH1A1 1399/4885SMN1; SMN2 2028/4885

“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.