SCHEMBL195203

SCHEMBL195203

Clc1cc(N2CCNCC2)c(Cl)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.51
ADRB1 P08588 6/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
HTR3A P46098 6/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HTR2C P28335 3/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL30282824 1.00 BPTF (0.51) BPTFADRB1CHRM2CHRM4CHRM1
Piperidine SCHEMBL2647262 0.86 CYP1A2 (0.41) BPTFADRB1CHRNB2CHRNA4HTR3A
SCHEMBL2648429 0.82 CYP1A2 (0.46) ALDH1A1CYP1A2KDM4EMEN1KMT2A
SCHEMBL31065028 0.82 SMARCA2 (0.54) BPTFADRB1CHRM2CHRM4CHRM1
SCHEMBL22959766 0.82 SMARCA2 (0.54) BPTFADRB1CHRM2CHRM4CHRM1
SCHEMBL195335 0.82 BPTF (0.49) BPTFADRB1CHRM2CHRM4CHRM1
SCHEMBL2646178 0.81 CYP1A2 (0.48) ALDH1A1CYP1A2KDM4EMEN1HPGD
SCHEMBL30893809 0.81 CYP1A2 (0.48) ALDH1A1CYP1A2KDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL23037272 0.81 SMARCA2 (0.52) BPTFADRB1CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL23037230 0.81 BPTF (0.47) BPTFADRB1CHRM2CHRM4CHRM1

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
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
CN-110198938-B Bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2023-03-14 CN disclosed
EP-3573982-B1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-06-16 EP disclosed
US-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-02-09 US disclosed
US-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-02-09 US disclosed
WO-2018138086-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2018-08-02 WO disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed
WO-2011124524-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO 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-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 BPTF 2045/4885ADRB1 2180/4885CHRM2 1672/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 BPTF 506/4885ADRB1 1308/4885CHRM2 4821/4885
US-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA BPTF 371/4885ADRB1 3025/4885CHRM2 1977/4885

“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.